CID 169502095

Moclobemide metabolite m18

Structural Information

Molecular Formula
C13H17ClN2O4
SMILES
C1=CC(=CC=C1C(=O)NCCN(CCO)C(=O)CO)Cl
InChI
InChI=1S/C13H17ClN2O4/c14-11-3-1-10(2-4-11)13(20)15-5-6-16(7-8-17)12(19)9-18/h1-4,17-18H,5-9H2,(H,15,20)
InChIKey
QYSSYWVVOXCHME-UHFFFAOYSA-N
Compound name
4-chloro-N-[2-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

300.08768 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09496 166.7
[M+Na]+ 323.07690 171.6
[M-H]- 299.08040 168.6
[M+NH4]+ 318.12150 181.2
[M+K]+ 339.05084 168.4
[M+H-H2O]+ 283.08494 160.6
[M+HCOO]- 345.08588 184.4
[M+CH3COO]- 359.10153 203.7
[M+Na-2H]- 321.06235 168.2
[M]+ 300.08713 169.5
[M]- 300.08823 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.